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SciDAC-2: Reaching Out to New Communities
Dr. Walter M. Polanski
As most of the projects funded under the initial SciDAC program officially end and the resulting success stories underscore the value of multi-disciplinary collaborations, SciDAC-1 might appear to be a very hard act to follow. But with the announcement of SciDAC-2 projects, it is clear that the Department of Energy (DOE) and the nation's scientific computing community are up to the task.
To start with, the response to the SciDAC-2 call for proposals was overwhelming. In all, we received over 350 letters of intent, resulting in 240 full proposals. After a month of internal review, those proposals were scrutinized for three weeks in intensive peer review panels. Based on these peer review recommendations 33 of the most promising projects were selected to be supported in the second round of Sci- DAC funding.
Among the reasons for the strong response to SciDAC-2 was the addition of new scientific application areas. These new disciplines and grand challenges, along with the core areas of research from SciDAC- 1, offer the promise of an even broader range of scientific discoveries. The research areas to be supported under SciDAC-2 are summarized below:
  • Physics – DOE is the federal government's primary source of support for physics research. Therefore, physics is the largest scientific application area in SciDAC-2. These efforts include projects in astrophysics that are striving to shed light on the dark matter and dark energy that make up ninety-five percent of our universe, as well as research aimed at learning more about supernovae and their role in the creation of the chemical elements. Other efforts focus on nuclear structure, lattice quantum chromodynamics, turbulence, and preparing to manage and analyze the massive amounts of data that are expected from large physics experiments such as the Large Hadron Collider in Europe. Some of these efforts are also partially supported by the National Science Foundation and/or the National Nuclear Security Administration (NNSA).

  • Climate Modeling and Simulation – The DOE's charge to elucidate the impacts of energy production and use on the environment continues to lead the evolution of climate modeling and simulation research in conjunction with the Climate Change Prediction Program. SciDAC efforts will advance the development of future climate models based on theoretical foundations and improved computational methods that dramatically increase both the accuracy and throughput of computer model-based predictions of future climate system response to the increased atmospheric concentrations of greenhouse gases.

  • Computational Biology – The Department's missions in energy and the environment include life sciences research on microbes and microbial communities that have the potential to generate hydrogen or ethanol, to sequester carbon dioxide, or help with environmental remediation. This field is new to the SciDAC portfolio and will focus on developing new methods for modeling complex biological systems, including molecular complexes, metabolic and signaling pathways, individual cells, and ultimately interacting organisms and ecosystems. Such systems act on time scales ranging from microseconds to thousands of years. Additionally, the systems must be coupled to huge databases created by an ever-increasing number of high-throughput experiments.

  • Fusion Energy Science – SciDAC efforts will continue to develop and improve the simulation and modeling of fusion systems essential for achieving the predictive scientific understanding needed to make fusion energy practical. Current large-scale simulations in fusion plasma science include integrated modeling of electromagnetic wave interactions with plasmas, research on understanding the plasma edge, and modeling plasma turbulence and macroscopic stability.

  • Groundwater Reactive Transport Modeling and Simulation – The DOE's efforts to contain and remediate contaminated sites challenge the state of the art in many areas. Scientifically rigorous models of subsurface reactive transport that accurately simulate contaminant mobility across multiple length scales remain elusive. New SciDAC efforts in this area aim to provide more advanced models for better following the movement of underground contaminates. This will benefit environmental cleanup efforts at DOE facilities and improve the monitoring of contaminants in groundwater around existing and future radionuclide waste disposal and storage sites with the aim of ultimately preventing environmental hazards. These efforts will also assist the Department's research on deep geologic carbon sequestration.

    The response to the SciDAC-2 call for proposals was overwhelming. The addition of new scientific application areas, along with the core areas of research from SciDAC-1, offer the promise of an even broader range of scientific discoveries.

  • Materials Science & Chemistry – Ongoing SciDAC efforts in materials science and chemistry will be supplemented with efforts, in partnership with and focused on the need of the National Nuclear Security Association (NNSA), that are focused on the needs of that program. These include quantum simulations of materials and nanostructures, simulations of stress corrosion cracking, and multi-scale simulations of strongly correlated materials. New efforts will be coordinated with current projects to improve understanding and attain accurate modeling of material properties, reactions and interactions, on length scales that are extended by ten orders of magnitude or more. In support of these advanced scientific applications, SciDAC-2 will also include multidisciplinary teams to create computational technologies that overcome some of the mathematics, computer science, and networking challenges of petascale computing. These teams bring together experts in the various scientific disciplines, computer scientists, and applied mathematicians to focus on the immediate needs of the applications and to anticipate future challenges. Under SciDAC-2, teams will be supported in the following three different organizational structures.
Centers for Enabling Technologies (CETs) will address the needs for new algorithms that scale to parallel systems having hundreds of thousands of processors. CETs will also work to attain methodologies that can achieve portability and interoperability of complex high performance scientific software packages, and to develop operating systems and runtime tools that support application execution performance and system management. Finally CETs will develop effective tools for remote access, feature identification, data management, and visualization of petabyte-scale scientific datasets. These CETs will broadly serve the scientific application teams and the SciDAC community.
SciDAC Institutes are university-led centers of excellence that will complement the efforts of the CETs, as well as focus on outreach to new communities and on educating the next generation of computational scientists in a range of scientific domains.
Science Application Partnerships (SAPs, or Partnerships) also complement the CETs but are targeted efforts attached to a specific scientific application.
All SciDAC teams will develop project specific websites. More information on SciDAC, including a listing of new and continuing projects can be found at www.scidac.org.
Together the SciDAC-2 teams will strive to match or exceed the advances that were realized through SciDAC-1, while broadening both the community of practitioners and the areas of scientific application.
Dr. Walter M. Polansky, Senior Technical Advisor for Project Management at the Office of Advanced Scientific Computing Research, Office of Science, DOE.